Found 64 results

Search term: MF = 'C_{22}H_{18}Br_{2}N_{2}O_{2}S'
ChemSpider 2D Image | (5R,10bS)-5-(3,5-Dibromo-2-ethoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine | C22H18Br2N2O2S

(5R,10bS)-5-(3,5-Dibromo-2-ethoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

  • Molecular FormulaC22H18Br2N2O2S
  • Average mass534.263 Da
  • Monoisotopic mass531.945557 Da
  • ChemSpider ID7791490

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5R,10bS)-5-(3,5-Dibrom-2-ethoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin [German] [ACD/IUPAC Name]
(5R,10bS)-5-(3,5-Dibromo-2-ethoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine [ACD/IUPAC Name]
(5R,10bS)-5-(3,5-Dibromo-2-éthoxyphényl)-2-(2-thiényl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine [French] [ACD/IUPAC Name]
5H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(3,5-dibromo-2-ethoxyphenyl)-1,10b-dihydro-2-(2-thienyl)-, (5R,10bS)- [ACD/Index Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC08396657 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 584.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.6±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9783.52
ACD/KOC (pH 5.5): 24955.88
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9847.36
ACD/KOC (pH 7.4): 25118.73
Polar Surface Area: 62 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 311.2±7.0 cm3

Click to predict properties on the Chemicalize site


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